4-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]benzoic acid Openeye Name: 4-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]benzoic acid CAS Name: 4-[(3-fluoro-4-methoxyphenyl)methylthio]benzoic acid IUPAC Name: 4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]benzoic acid Traditional Name: 4-[(3-fluoro-4-methoxy-benzyl)thio]benzoic acid Formula: C15H13FO3S MolecularWeight: 292.325323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=CC=C(C=C2)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=CC=C(C=C2)C(=O)O)F

InChI

InChI=1S/C15H13FO3S/c1-19-14-7-2-10(8-13(14)16)9-20-12-5-3-11(4-6-12)15(17)18/h2-8H,9H2,1H3,(H,17,18)